N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine

C14H14F3NO — CID 115850612

IUPACN-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1coc(C)c1
InChIInChI=1S/C14H14F3NO/c1-9-6-11(8-19-9)13(18-2)10-4-3-5-12(7-10)14(15,16)17/h3-8,13,18H,1-2H3
InChIKeyWALZQASSYMHNCN-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.92
Rot. Bonds3

About N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine

N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 115850612) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID115850612
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1coc(C)c1
InChIInChI=1S/C14H14F3NO/c1-9-6-11(8-19-9)13(18-2)10-4-3-5-12(7-10)14(15,16)17/h3-8,13,18H,1-2H3
InChIKeyWALZQASSYMHNCN-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850651
1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115791802
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylphenyl)methanamine
CID 115789821
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899
1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43481712
1-(3-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 79697009
1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43480838
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115859709
1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62792020
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62789882

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine (CID 115850612) is N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine is CNC(c1cccc(C(F)(F)F)c1)c1coc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WALZQASSYMHNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-9-6-11(8-19-9)13(18-2)10-4-3-5-12(7-10)14(15,16)17/h3-8,13,18H,1-2H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115850612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).